Geometry & MOs

Info

ID:	414887
PubChem CID:	135087859
Reduced:	O3N7C19H23 (1)
Stoich.:	A3B7C19D23 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	3.16
Dipole, Da:	3.25
IP(EA), eV:	-8.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NCCC4=NC(=NN4)N

DOS

IR

Vibrations